Estudios DFT de sistemas modelo de complejos Fe2+/3+-Aβ y propiedades antiagregantes de polifenoles y carotenoides en la enfermedad de Alzheimer

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dc.contributor.advisorAlí Torres, Jorge Isaacspa
dc.contributor.advisorNúñez Zarur, Franciscospa
dc.contributor.authorOrjuela Rocha, Adrian Leonardospa
dc.contributor.orcid0000-0003-2789-3948spa
dc.contributor.researchgroupQuímica Cuántica y Computacionalspa
dc.date.accessioned2024-06-11T21:27:57Z
dc.date.available2024-06-11T21:27:57Z
dc.date.issued2024
dc.descriptionilustraciones, diagramasspa
dc.description.abstractLa enfermedad de Alzheimer, una compleja afección multifactorial, implica una serie de factores entre los cuales destaca la hipótesis del papel del hierro en los procesos de neurodegeneración y en la formación de placas amiloides. En este contexto, el presente estudio se enfocó en el uso de métodos computacionales para predecir el potencial estándar de reducción y la generación de especies reactivas mediante complejos Fe-Aβ Los resultados incluyen el desarrollo de una metodología avanzada para el tratamiento de complejos de hierro, así como una propuesta sobre la reactividad y la formación de peroxído de hidrógeno. Además, se elaboró una metodología específica para investigar el potencial antiagregante de derivados de curcumina. Esta misma técnica se aplicó para evaluar la actividad antiagregante de varios carotenoides presentes en el mamey rojo, ampliando así el espectro de posibles intervenciones terapéuticas en la lucha contra la enfermedad de Alzheimer. Estos avances representan un paso significativo en la comprensión y tratamiento de esta enfermedad, abriendo nuevas vías de investigación para combatir sus efectos neurodegenerativos. (Texto tomado de la fuente).spa
dc.description.abstractAlzheimer’s disease, a complex multifactorial condition, involves a series of factors among which the hypothesis of iron’s role in neurodegeneration processes and amyloid plaque formation stands out. In this context, the present study focused on the use of computational methods to predict the standard reduction potential and the generation of reactive species through Fe-Aβ complexes. The results include the development of an advanced methodology for the treatment of iron complexes, as well as a proposal on reactivity and the formation of H2O2. Additionally, a specific methodology was developed to investigate the antiaggregating potential of curcumin derivatives. This same technique was applied to evaluate the anti-aggregating activity of various carotenoids present in red mamey, thus expanding the spectrum of possible therapeutic interventions in the fight against Alzheimer’s disease. These advances represent a significant step in the understanding and treatment of this disease, opening new avenues of research to combat its neurodegenerative effects.eng
dc.description.degreelevelDoctoradospa
dc.description.degreenameDoctor en Ciencias - Químicaspa
dc.description.researchareaQuímica computacionalspa
dc.format.extentxix, 129 páginasspa
dc.format.mimetypeapplication/pdfspa
dc.identifier.instnameUniversidad Nacional de Colombiaspa
dc.identifier.reponameRepositorio Institucional Universidad Nacional de Colombiaspa
dc.identifier.repourlhttps://repositorio.unal.edu.co/spa
dc.identifier.urihttps://repositorio.unal.edu.co/handle/unal/86226
dc.language.isospaspa
dc.publisherUniversidad Nacional de Colombiaspa
dc.publisher.branchUniversidad Nacional de Colombia - Sede Bogotáspa
dc.publisher.facultyFacultad de Cienciasspa
dc.publisher.placeBogotá, Colombiaspa
dc.publisher.programBogotá - Ciencias - Doctorado en Ciencias - Químicaspa
dc.relation.indexedBiremespa
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dc.rights.accessrightsinfo:eu-repo/semantics/openAccessspa
dc.rights.licenseAtribución-NoComercial-CompartirIgual 4.0 Internacionalspa
dc.rights.urihttp://creativecommons.org/licenses/by-nc-sa/4.0/spa
dc.subject.ddc540 - Química y ciencias afines::541 - Química físicaspa
dc.subject.ddc610 - Medicina y salud::615 - Farmacología y terapéuticaspa
dc.subject.decsHierro/análisisspa
dc.subject.decsIron/analysiseng
dc.subject.decsPlaca Amiloide/prevención & controlspa
dc.subject.decsPlaque, Amyloid/prevention & controleng
dc.subject.decsEnfermedad de Alzheimer/tratamiento farmacológicospa
dc.subject.decsAlzheimer Disease/drug therapyeng
dc.subject.proposalAlzheimerspa
dc.subject.proposalDFTspa
dc.subject.proposalHierrospa
dc.subject.proposalDinámica Molecularspa
dc.subject.proposalAcoplamiento molecularspa
dc.subject.proposalProductos naturalesspa
dc.subject.proposalAlzheimereng
dc.subject.proposalDFTeng
dc.subject.proposalIroneng
dc.subject.proposalMolecular dynamicseng
dc.subject.proposalMolecular dockingeng
dc.subject.proposalNatural productseng
dc.titleEstudios DFT de sistemas modelo de complejos Fe2+/3+-Aβ y propiedades antiagregantes de polifenoles y carotenoides en la enfermedad de Alzheimerspa
dc.title.translatedDFT studies of Fe2+/3+-Aβ model systems and antiaggregation properties of polyphenols and carotenoids in Alzheimer's diseaseeng
dc.typeTrabajo de grado - Doctoradospa
dc.type.coarhttp://purl.org/coar/resource_type/c_db06spa
dc.type.coarversionhttp://purl.org/coar/version/c_ab4af688f83e57aaspa
dc.type.contentTextspa
dc.type.driverinfo:eu-repo/semantics/doctoralThesisspa
dc.type.redcolhttp://purl.org/redcol/resource_type/TDspa
dc.type.versioninfo:eu-repo/semantics/acceptedVersionspa
dcterms.audience.professionaldevelopmentInvestigadoresspa
oaire.accessrightshttp://purl.org/coar/access_right/c_abf2spa
oaire.awardtitleDiseño computacional, síntesis y estudios preliminares de actividad biológica de ligandos multifuncionales de cobre con potencial redox controlado, para su aplicación en el tratamiento de la enfermedad de Alzheimerspa
oaire.fundernameVicerrectoría de Investigación Universidad Nacional de Colombiaspa

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